2-chloro-3-hydroxy-3,3-diphenylpropanoic acid

C15H13ClO3 — CID 87898633

IUPAC2-chloro-3-hydroxy-3,3-diphenylpropanoic acid
SMILESO=C(O)C(Cl)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13ClO3/c16-13(14(17)18)15(19,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,19H,(H,17,18)
InChIKeyDTXTYVBIBIZFAV-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.61
Rot. Bonds4

About 2-chloro-3-hydroxy-3,3-diphenylpropanoic acid

2-chloro-3-hydroxy-3,3-diphenylpropanoic acid (PubChem CID 87898633) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-chloro-3-hydroxy-3,3-diphenylpropanoic acid.

Molecular Properties

Compound Name2-chloro-3-hydroxy-3,3-diphenylpropanoic acid
PubChem CID87898633
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name2-chloro-3-hydroxy-3,3-diphenylpropanoic acid
SMILESO=C(O)C(Cl)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13ClO3/c16-13(14(17)18)15(19,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,19H,(H,17,18)
InChIKeyDTXTYVBIBIZFAV-UHFFFAOYSA-N
XLogP2.61
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-hydroxy-3,3-diphenylpropanoic acid
CID 168862010
2-[dihydroxy(phenyl)methyl]propanedioic acid
CID 67817052
2,2-dibromo-2-phenylacetyl chloride
CID 56990356
(2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336800
(2R,3R)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336799
S-(2-phenylpropan-2-yl) chloromethanethioate
CID 13089654
2-benzoyloxy-2-chloroacetic acid
CID 173354746
dichloro(phenyl)methanol
CID 25493
ditrityl 2-chloropropanedioate
CID 139617895
(2S)-2-methanethioyl-3,3,3-triphenylpropanoic acid
CID 20610846
2-fluoro-3-hydroxy-3-phenylbutanoic acid
CID 79367352
3,3,3-trifluoro-1,1-diphenylpropane-1,2-diol
CID 10708008

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-hydroxy-3,3-diphenylpropanoic acid?
The IUPAC name of 2-chloro-3-hydroxy-3,3-diphenylpropanoic acid (CID 87898633) is 2-chloro-3-hydroxy-3,3-diphenylpropanoic acid.
What is the SMILES notation for 2-chloro-3-hydroxy-3,3-diphenylpropanoic acid?
The canonical SMILES for 2-chloro-3-hydroxy-3,3-diphenylpropanoic acid is O=C(O)C(Cl)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-chloro-3-hydroxy-3,3-diphenylpropanoic acid?
The InChIKey is DTXTYVBIBIZFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c16-13(14(17)18)15(19,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,19H,(H,17,18).
What are the key properties of 2-chloro-3-hydroxy-3,3-diphenylpropanoic acid?
2-chloro-3-hydroxy-3,3-diphenylpropanoic acid has a molecular weight of 276.72 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-hydroxy-3,3-diphenylpropanoic acid is sourced from PubChem (CID 87898633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).